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CHEBI:103803 - 2-[(1R,3R,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide

ChEBI IDCHEBI:103803
ChEBI Name2-[(1R,3R,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
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DownloadsMolfile
FormulaC26H31N3O7
Net Charge0
Average Mass497.548
Monoisotopic Mass497.21620
SMILESCN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCc3ccc4c(c3)OCO4)O[C@H](CO)[C@@H]1O2
InChIInChI=1S/C26H31N3O7/c1-29(2)12-25(32)28-16-4-6-20-18(8-16)19-9-17(35-23(13-30)26(19)36-20)10-24(31)27-11-15-3-5-21-22(7-15)34-14-33-21/h3-8,17,19,23,26,30H,9-14H2,1-2H3,(H,27,31)(H,28,32)/t17-,19+,23-,26-/m1/s1
InChIKeyWTUFVLVPXRCGPW-ZOFLEUFXSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3R,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide (CHEBI:103803) is a amino acid amide (CHEBI:22475)
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